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authors [2025/01/19 08:13] – agustin_aucarauthors [2025/10/27 08:25] (current) – jbrandejs
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  general structure, closed-shell Hartree-Fock, density functional theory module,  general structure, closed-shell Hartree-Fock, density functional theory module,
  quaternion symmetry scheme, wave function analysis  quaternion symmetry scheme, wave function analysis
- (mulliken/projection/visualization), expectation values, linear response module + (Mulliken/projection/visualization), expectation values, linear response module, 
 + effective QED potentials
 </columns> </columns>
 ---- ----
Line 16: Line 17:
 <newcolumn> <newcolumn>
 **Lucas Visscher** \\ **Lucas Visscher** \\
-https://research.vu.nl/en/persons/l-visscher \\+https://sites.google.com/view/qcvu/home \\
 ORCID: [[https://orcid.org/0000-0002-7748-6243|0000-0002-7748-6243]]\\ ORCID: [[https://orcid.org/0000-0002-7748-6243|0000-0002-7748-6243]]\\
  general structure, relativistic coupled cluster methods, direct CI module,  general structure, relativistic coupled cluster methods, direct CI module,
- spinfree Dirac equation, index transformation routines, interfaces, + spinfree Dirac equation, index transformation routines, interfaces
-  +
 </columns> </columns>
 ---- ----
Line 32: Line 32:
  open-shell Hartree-Fock, Kramers-restricted MCSCF,  open-shell Hartree-Fock, Kramers-restricted MCSCF,
  4c ESR,  4c ESR,
- parallellization of CI, London orbitals NMR, two-step X2C (BSSinf, DKHinf), administrator + parallelization of CI, London orbitals NMR, two-step X2C (BSSinf, DKHinf), administrator
 </columns> </columns>
 ---- ----
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 ORCID: [[https://orcid.org/0000-0002-7658-1847|0000-0002-7658-1847]]\\ ORCID: [[https://orcid.org/0000-0002-7658-1847|0000-0002-7658-1847]]\\
  SDFT linear and quadratic response, higher order response properties, visualization,  SDFT linear and quadratic response, higher order response properties, visualization,
- PV NMR properties, XC evaluation, CMake framework, testing, dashboard, website + PV NMR properties, XC evaluation, CMake framework, testing, dashboard, website
 </columns> </columns>
 ---- ----
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 https://pro.univ-lille.fr/andre-severo-pereira-gomes \\ https://pro.univ-lille.fr/andre-severo-pereira-gomes \\
 ORCID: [[https://orcid.org/0000-0002-5437-2251|0000-0002-5437-2251]]\\ ORCID: [[https://orcid.org/0000-0002-5437-2251|0000-0002-5437-2251]]\\
- 
  Frozen-density embedding (FDE) module (DFT-in-DFT and WFT-in-DFT embedding), FDE contributions to molecular properties (electric, magnetic), equation of motion coupled cluster (EOMCC)  Frozen-density embedding (FDE) module (DFT-in-DFT and WFT-in-DFT embedding), FDE contributions to molecular properties (electric, magnetic), equation of motion coupled cluster (EOMCC)
 </columns> </columns>
Line 64: Line 63:
 ORCID: [[https://orcid.org/0000-0003-3501-0957|0000-0003-3501-0957]]\\ ORCID: [[https://orcid.org/0000-0003-3501-0957|0000-0003-3501-0957]]\\
  Nuclear spin-rotation constants, molecular rotational g-tensors  Nuclear spin-rotation constants, molecular rotational g-tensors
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{::jjaucar.jpg?100|}}
 +<newcolumn>
 +**Juan J. Aucar** \\
 +ORCID: [[https://orcid.org/0000-0002-9065-2242|0000-0002-9065-2242]]\\
 +Parity-violating effects in electric field gradients
 </columns> </columns>
 ---- ----
Line 77: Line 84:
 <newcolumn> <newcolumn>
 **Jan Brandejs** \\ **Jan Brandejs** \\
 +https://janbrandejs.github.io \\
 ORCID: [[https://orcid.org/0000-0002-2107-3095|0000-0002-2107-3095]]\\ ORCID: [[https://orcid.org/0000-0002-2107-3095|0000-0002-2107-3095]]\\
  ExaCorr Development: Automatically generated relativistic coupled cluster  ExaCorr Development: Automatically generated relativistic coupled cluster
Line 86: Line 94:
 **Chima Chibueze** \\ **Chima Chibueze** \\
 ORCID: [[https://orcid.org/0009-0008-3007-4808|0009-0008-3007-4808]]\\ ORCID: [[https://orcid.org/0009-0008-3007-4808|0009-0008-3007-4808]]\\
- Relativistic coupled cluster,  ExaCorr Development : open-shell systems+ Relativistic coupled cluster,  ExaCorr Development: open-shell systems
 </columns> </columns>
 ---- ----
Line 152: Line 160:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{::kgaul.jpg?100|}}
 <newcolumn> <newcolumn>
 **Konstantin J. Gaul** \\ **Konstantin J. Gaul** \\
Line 252: Line 261:
 **Christoffer V. Larsen** \\ **Christoffer V. Larsen** \\
  MP2 first order properties   MP2 first order properties 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:ernstdlarsson.jpg?100|}}
 +<newcolumn>
 +**Ernst D. Larsson** \\
 +ORCID: [[https://orcid.org/0000-0001-7655-2993|0000-0001-7655-2993]]\\
 + Polarizable density embedding (PDE)
 </columns> </columns>
 ---- ----
Line 361: Line 378:
  integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface   integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface 
 </columns> </columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:CarlosRocha.jpg?100|}}
 +<newcolumn>
 +**Carlos Murilo Romero Rocha** \\
 +ORCID: [[https://orcid.org/0000-0002-4118-8308|0000-0002-4118-8308]]\\
 + ASE interface 
 +</columns>
 +
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
Line 407: Line 433:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:ayaki_sunaga.png?100|}}+{{:developers:ayaki_sunaga.jpg?100|}}
 <newcolumn> <newcolumn>
 **Ayaki Sunaga** \\ **Ayaki Sunaga** \\
 https://researchmap.jp/asunaga/?lang=en \\ https://researchmap.jp/asunaga/?lang=en \\
 ORCID: [[https://orcid.org/0000-0002-3802-680X|0000-0002-3802-680X]]\\ ORCID: [[https://orcid.org/0000-0002-3802-680X|0000-0002-3802-680X]]\\
- atomic supersymmetry + atomic supersymmetry, effective QED potentials
 </columns> </columns>
 ---- ----
authors.1737274436.txt.gz · Last modified: 2025/01/19 08:13 by agustin_aucar
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